Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F
The experimentally established mechanism targets of Cetrimonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Malic Acid SCHEMBL8437738 | 1.00 | DNM1 (0.52) | DNM1SMN1; SMN2GPR84FFAR1HSP90AA1 | |
| Malic Acid SCHEMBL8437257 | 1.00 | DNM1 (0.52) | DNM1SMN1; SMN2GPR84FFAR1HSP90AA1 | |
| Malic Acid SCHEMBL8437740 | 0.87 | DNM1 (0.48) | DNM1GPR84HSP90AA1APAF1RAD52 | |
| Cetrimonium SCHEMBL8437300 | 0.87 | DNM1 (0.48) | DNM1GPR84HSP90AA1APAF1RAD52 | |
| Malic Acid SCHEMBL8437259 | 0.87 | DNM1 (0.48) | DNM1GPR84HSP90AA1APAF1RAD52 | |
| Malic Acid SCHEMBL11775907 | 0.85 | DNM1 (0.53) | DNM1SMN1; SMN2GPR84FFAR1TP53 | |
| Tetrabuthylammonium SCHEMBL5874725 | 0.84 | SMN1; SMN2 (0.58) | SMN1; SMN2GPR84FFAR1 | |
| Cetrimonium SCHEMBL4368047 | 0.82 | DNM1 (0.60) | DNM1SMN1; SMN2GPR84FFAR1HSP90AA1 | |
| Lactic Acid SCHEMBL5573511 | 0.82 | DNM1 (0.60) | DNM1SMN1; SMN2GPR84FFAR1HSP90AA1 | |
| Cetrimonium SCHEMBL8437348 | 0.82 | DNM1 (0.60) | DNM1SMN1; SMN2GPR84FFAR1HSP90AA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3954846-A | New quaternary ammonium salts of malic acid and their application in cosmetics | AGENCE NATIONALE DE VALORIZATION DE LA RECHERCHE (ANVAR) (FR) | 1976-05-04 | — | — | US | claimed |
| US-5933693-A | Electroconductive elastic member and electrophotographic apparatus using same | BRIDGESTONE CORPORATION (JP) | 1999-08-03 | — | — | US | disclosed |
| US-3954846-A | New quaternary ammonium salts of malic acid and their application in cosmetics | AGENCE NATIONALE DE VALORIZATION DE LA RECHERCHE (ANVAR) (FR) | 1976-05-04 | — | — | US | disclosed |